Geometry & MOs

Info

ID:	147148
PubChem CID:	53786801
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	182.013457
ΔH_f, kcal/mol:	53.62
Dipole, Da:	4.26
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7a-dihydro-1-benzofuran-5-carbonyl chloride

Drug info:

PubChemData

Smile

CCC1=CC(=CN=C1)C2=CN=CC=C2

DOS

IR

Vibrations